Glycoside
GD020797
Name:
NoneFormula:
C13H15O8NSmiles:
O=c1[nH]c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cccc2o1Aglycone:
O=c1[nH]c2c(O)cccc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.26 | Num_heavy_atoms: | 22 |
| TPSA: | 145.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD14304
Formula: C7H5O3N
Smiles:
O=c1[nH]c2c(O)cccc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.12 | Num_heavy_atoms: | 11 |
| TPSA: | 66.23 | NumAromaticRings: | 2 |
